N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C54H38N4O — CID 163785140

IUPACN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C54H38N4O/c1-54(2)46-24-14-12-22-42(46)43-31-30-40(34-47(43)54)58(38-20-10-5-11-21-38)39-28-26-35(27-29-39)41-32-33-45(49-44-23-13-15-25-48(44)59-50(41)49)53-56-51(36-16-6-3-7-17-36)55-52(57-53)37-18-8-4-9-19-37/h3-34H,1-2H3
InChIKeyMRWZIZRTJPLZLR-UHFFFAOYSA-N
MW758.93 g/mol
LogP14.22
Rot. Bonds7

About N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 163785140) has the molecular formula C54H38N4O and a molecular weight of 758.93 g/mol. Its IUPAC name is N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID163785140
Molecular FormulaC54H38N4O
Molecular Weight758.93 g/mol
Exact Mass758.30
IUPAC NameN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C54H38N4O/c1-54(2)46-24-14-12-22-42(46)43-31-30-40(34-47(43)54)58(38-20-10-5-11-21-38)39-28-26-35(27-29-39)41-32-33-45(49-44-23-13-15-25-48(44)59-50(41)49)53-56-51(36-16-6-3-7-17-36)55-52(57-53)37-18-8-4-9-19-37/h3-34H,1-2H3
InChIKeyMRWZIZRTJPLZLR-UHFFFAOYSA-N
XLogP14.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.93
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147691444
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 166974866
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 163785140) is N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is MRWZIZRTJPLZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4O/c1-54(2)46-24-14-12-22-42(46)43-31-30-40(34-47(43)54)58(38-20-10-5-11-21-38)39-28-26-35(27-29-39)41-32-33-45(49-44-23-13-15-25-48(44)59-50(41)49)53-56-51(36-16-6-3-7-17-36)55-52(57-53)37-18-8-4-9-19-37/h3-34H,1-2H3.
What are the key properties of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 758.93 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 163785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).